CID 7017890

Boc-glu(ochex)-oh

Structural Information

Molecular Formula
C16H27NO6
SMILES
CC(C)(C)OC(=O)N[C@@H](CCC(=O)OC1CCCCC1)C(=O)O
InChI
InChI=1S/C16H27NO6/c1-16(2,3)23-15(21)17-12(14(19)20)9-10-13(18)22-11-7-5-4-6-8-11/h11-12H,4-10H2,1-3H3,(H,17,21)(H,19,20)/t12-/m0/s1
InChIKey
FDNMLANBNJDIRG-LBPRGKRZSA-N
Compound name
(2S)-5-cyclohexyloxy-2-[(2-methylpropan-2-yl)oxycarbonylamino]-5-oxopentanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

314
Patents

329.18384 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 330.19112 176.2
[M+Na]+ 352.17306 179.7
[M+NH4]+ 347.21766 179.1
[M+K]+ 368.14700 179.0
[M-H]- 328.17656 173.0
[M+Na-2H]- 350.15851 175.2
[M]+ 329.18329 175.0
[M]- 329.18439 175.0
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe